Volume 6, no. 1Pages 13 - 24

The Molecular Dynamics Research of the Formation of the Separation Boundary Between Metal Nanofilms

A.M. Igoshkin, I.F. Golovnev, V.M. Fomin
At present the analysis of the assembly of mechanisms responsible for the formation of nanostructures on the substrate during the deposition of metals from the beam or the gas phase is not completed. In order to identify these mechanisms research methods of processes at the atomic level are necessary, among them one of the most powerful is the method of molecular dynamics. It proves its relevance at the solution of this problem. In this paper the influence of the orientation and the substrate temperature on the formation of the separation boundary Ag/Cu is analyzed.
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Keywords
vapor deposition, molecular dynamics modelling, nanostructure, separation boundary.
References
1. Mitchell K.A.R., Woodruff D.P., Vernon G.W. A Test of Energy Averaging in LEED: The Coincidence Lattice Structure Formed by Ag on Cu (111). Surface Science, 1974, vol. 46, issue 2, pp. 418-426.
2. Mottet C., Treglia G., Legrand B. Structures of a Ag Monolayer Deposited on Cu (111), Cu (100), and Cu (110) Substrates: an Extended Tight-Binding Quenched-Molecular-Dynamics Study. Phys. Rev. B, 1992, vol. 46, issue 24, pp. 16018-16030.
3. Jacobsen J., Pleth Nielsen L., Besenbacher F., Stensgaard I., Laegsgaard E., Rasmussen T., Jacobsen K.W., Norskov J.K. Atomic-Scale Determination of Misfit Dislocation Loops at Metal-Metal Interfaces. Phys. Rev. Lett., 1995, vol. 75, issue 3, pp. 489-492.
4. Aufray B., Gothelid M., Gay J.-M., Mottet C., Landemark E., Falkenberg G., Lottermoser L., Seehofer L., Johnson R.L. Ag/Cu (111): an Incommensurate Reconstruction Studied with Scanning Tunneling Microscopy and Surface X-Ray Diffraction. Microsc. Microanal. Microstruct., 1997, vol. 8, no. 3, pp. 167-174.
5. Meunier I., Treglia G., Gay J.-M., Aufray B., Legrand B. Ag/Cu (111) Structure Revisited Through an Extended Mechanism for Stress Relaxation. Phys. Rev. B, 1999, vol. 59, pp. 10910-10917.
6. Meunier I., Treglia G., Legrand B., Tetot R., Aufray B., Gay J.-M. Molecular Dynamics Simulations for the Ag/Cu (111) System: from Segregated to Constitutive Interfacial Vacancies. Appl. Surf. Sci., 2000, vol. 219, pp. 162-163.
7. Meunier I., Tetot R., Treglia G., Legrand B. Thermal Dependence of Surface Polymorphism: the Ag/Cu (111) Case. Applied Surface Science, 2001, vol. 177, issue 4, pp. 252-257.
8. Meunier I., Treglia G., Tetot R., Creuze J., Berthier F., Legrand B.Misfit Dislocation Loops or Incommensurate Structure at an Interface: Vibrational and Anharmonic Effects. Phys. Rev. B, 2002, vol. 66, issue 12, pp. 125409-125423.
9. Rassmussen T. Simulation of Misfit Dislocation Loopsat the Ag/Cu (111) Interface. Phys. Rev. B, 2000, vol. 62, issue 19, pp. 12664-2667.
10. Daw M.S., Baskes M.I. Embedded Atom Method: Derivation and Application to Impurities, Surfaces and Other Defects of Metals. Phys. Rev. B, 1984, vol. 29, issue 12, pp. 6443-6453.
11. Voter A.F. Embedded Atom Method Potentials for Seven fcc Metals: Ni, Pb, Pt, Cu, Ag, Au and Al. Los Alamos Unclassified technical report # LA-UR 93-3901, 1993.
12. Golovneva E.I., Golovnev I.F., Fomin V.M. Modeling of Quasi-Static Processes in Crystals by Molecular Dynamics. Physical Mesomechanics, 2003, vol. 6, no. 6, pp. 5-10. (in Russian)
13. Bolesta A.V., Golovnev I.F., Fomin V.M. Melting on Contact with Nickel Cluster Collision with a Rigid Wall. Physical Mesomechanics, 2001, vol. 4, no. 1, pp. 5-10. (in Russian)
14. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., DiNola A., Haak J.R. Molecular Dynamics with Coupling to an External Bath. J. Chem. Phys., 1984. vol. 81, issue 8, pp. 3684-3690.
15. Ray J.R., Rahman A. Statistical Ensembles and Molecular Dynamics Studies of Anisotropic Solids. J. Chem. Phys., 1984, vol. 80, issue 9, pp. 4423-4428.